methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: methyl-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-24(16-19-8-4-2-5-9-19)18-22(26)23-21-12-14-25(15-13-21)17-20-10-6-3-7-11-20/h2-11,21H,12-18H2,1H3,(H,23,26)/p+2